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Information card for entry 4028954
Preview
| Coordinates | 4028954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H34 N O Si |
|---|---|
| Calculated formula | C24 H34 N O Si |
| SMILES | CC(C)(C)[Si](C)(C)O[C@H]1C(C)(C)CCC2=C(c3c([C@H]12)c1c(cccc1)[n]3)C.CC(C)(C)[Si](C)(C)O[C@@H]1C(C)(C)CCC2=C(c3c([C@@H]12)c1ccccc1[n]3)C |
| Title of publication | Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates |
| Authors of publication | Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Journal issue | 14 |
| Pages of publication | 4958 - 4974 |
| a | 9.466 ± 0.004 Å |
| b | 13.596 ± 0.005 Å |
| c | 19.082 ± 0.007 Å |
| α | 102.001 ± 0.007° |
| β | 98.593 ± 0.007° |
| γ | 100.478 ± 0.007° |
| Cell volume | 2316.9 ± 1.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2006 |
| Residual factor for significantly intense reflections | 0.1078 |
| Weighted residual factors for significantly intense reflections | 0.2175 |
| Weighted residual factors for all reflections included in the refinement | 0.2396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4024645 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210090 (current) | 2018-08-23 | cif/4/02/ Updating bibliography in entries 4024643-4024648, 4028954. Marking entry 4028954 as a duplicate of entry 4024645. |
4028954.cif |
| 178468 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/89. |
4028954.cif |
| 170212 | 2015-11-09 | cif/4: Fixing some Z values and formulae. |
4028954.cif |
| 99150 | 2014-01-30 | cif/ Adding structures of 4028954 via cif-deposit CGI script. |
4028954.cif |
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